1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine

C15H23NO3 — CID 104993546

IUPAC1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOc1cccc(OC)c1C(N)CCC1CCCO1
InChIInChI=1S/C15H23NO3/c1-17-13-6-3-7-14(18-2)15(13)12(16)9-8-11-5-4-10-19-11/h3,6-7,11-12H,4-5,8-10,16H2,1-2H3
InChIKeyFDRYWPRGHSCPHM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.66
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine

1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993546) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993546
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOc1cccc(OC)c1C(N)CCC1CCCO1
InChIInChI=1S/C15H23NO3/c1-17-13-6-3-7-14(18-2)15(13)12(16)9-8-11-5-4-10-19-11/h3,6-7,11-12H,4-5,8-10,16H2,1-2H3
InChIKeyFDRYWPRGHSCPHM-UHFFFAOYSA-N
XLogP2.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993607
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105035512
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine (CID 104993546) is 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine is COc1cccc(OC)c1C(N)CCC1CCCO1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is FDRYWPRGHSCPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-13-6-3-7-14(18-2)15(13)12(16)9-8-11-5-4-10-19-11/h3,6-7,11-12H,4-5,8-10,16H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).